2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide

C14H16F2N2O — CID 100901426

IUPAC2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CN1C[C@H]2CCC[C@H]21)Nc1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2O/c15-10-4-5-11(16)12(6-10)17-14(19)8-18-7-9-2-1-3-13(9)18/h4-6,9,13H,1-3,7-8H2,(H,17,19)/t9-,13-/m1/s1
InChIKeyUVYWWOLSJKBDLQ-NOZJJQNGSA-N
MW266.29 g/mol
LogP2.39
Rot. Bonds3

About 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide

2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 100901426) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID100901426
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CN1C[C@H]2CCC[C@H]21)Nc1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2O/c15-10-4-5-11(16)12(6-10)17-14(19)8-18-7-9-2-1-3-13(9)18/h4-6,9,13H,1-3,7-8H2,(H,17,19)/t9-,13-/m1/s1
InChIKeyUVYWWOLSJKBDLQ-NOZJJQNGSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(5-amino-2-fluorophenyl)acetamide
CID 82751891
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2,5-difluorophenyl)acetamide
CID 11940857
N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 11931084
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide (CID 100901426) is 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide is O=C(CN1C[C@H]2CCC[C@H]21)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is UVYWWOLSJKBDLQ-NOZJJQNGSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-10-4-5-11(16)12(6-10)17-14(19)8-18-7-9-2-1-3-13(9)18/h4-6,9,13H,1-3,7-8H2,(H,17,19)/t9-,13-/m1/s1.
What are the key properties of 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide?
2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 266.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 100901426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).